6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C15H26N2O2Si — CID 102163886

IUPAC6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=C\[Si](C)(C)C(C)(C)C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H26N2O2Si/c1-11(10-20(7,8)15(2,3)4)12-9-13(18)17(6)14(19)16(12)5/h9-10H,1-8H3/b11-10+
InChIKeyMQNFVNFFBKBOPD-ZHACJKMWSA-N
MW294.47 g/mol
LogP2.54
Rot. Bonds2

About 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 102163886) has the molecular formula C15H26N2O2Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID102163886
Molecular FormulaC15H26N2O2Si
Molecular Weight294.47 g/mol
Exact Mass294.18
IUPAC Name6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=C\[Si](C)(C)C(C)(C)C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H26N2O2Si/c1-11(10-20(7,8)15(2,3)4)12-9-13(18)17(6)14(19)16(12)5/h9-10H,1-8H3/b11-10+
InChIKeyMQNFVNFFBKBOPD-ZHACJKMWSA-N
XLogP2.54
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 102163886) is 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione is C/C(=C\[Si](C)(C)C(C)(C)C)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MQNFVNFFBKBOPD-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H26N2O2Si/c1-11(10-20(7,8)15(2,3)4)12-9-13(18)17(6)14(19)16(12)5/h9-10H,1-8H3/b11-10+.
What are the key properties of 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 294.47 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 102163886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).